# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25135600
_cell_length_b   7.85705000
_cell_length_c   8.81783709
_cell_angle_alpha   81.39132734
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   359.72647420
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.94891700  0.00168300  0.10457900  1
  Li  Li1  1  0.57763900  0.51946900  0.70132100  1
  Li  Li2  1  0.07763900  0.48053100  0.29867900  1
  Li  Li3  1  0.44891700  0.99831700  0.89542100  1
  Fe  Fe4  1  0.03123900  0.80463500  0.58621200  1
  Fe  Fe5  1  0.44145700  0.64428500  0.08245900  1
  Fe  Fe6  1  0.94145700  0.35571500  0.91754100  1
  Fe  Fe7  1  0.53123900  0.19536500  0.41378800  1
  P  P8  1  0.52304100  0.76625800  0.41425700  1
  P  P9  1  0.95366600  0.71668400  0.94657400  1
  P  P10  1  0.45366600  0.28331600  0.05342600  1
  P  P11  1  0.02304100  0.23374200  0.58574300  1
  O  O12  1  0.48754300  0.96036300  0.35656100  1
  O  O13  1  0.39656800  0.71621200  0.57557500  1
  O  O14  1  0.20871400  0.81698100  0.94307800  1
  O  O15  1  0.73820800  0.82709300  0.00451400  1
  O  O16  1  0.81080000  0.71752900  0.42781600  1
  O  O17  1  0.38768800  0.66098200  0.30161700  1
  O  O18  1  0.89056900  0.66281800  0.78957300  1
  O  O19  1  0.99156600  0.54735100  0.06431400  1
  O  O20  1  0.49156600  0.45264900  0.93568600  1
  O  O21  1  0.39056900  0.33718200  0.21042700  1
  O  O22  1  0.88768800  0.33901800  0.69838300  1
  O  O23  1  0.31080000  0.28247100  0.57218400  1
  O  O24  1  0.23820800  0.17290700  0.99548600  1
  O  O25  1  0.70871400  0.18301900  0.05692200  1
  O  O26  1  0.89656800  0.28378800  0.42442500  1
  O  O27  1  0.98754300  0.03963700  0.64343900  1
